Crystallography Open Database

Information card for entry 4341467

Preview

Coordinates	4341467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H44 Ba Cu4 I6 O10
Calculated formula	C18 H43.9998 Ba Cu4 I6 O10
Title of publication	Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?
Authors of publication	Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	21
Pages of publication	11721 - 11731
a	14.895 ± 0.0007 Å
b	14.895 ± 0.0007 Å
c	30.693 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	5897.3 ± 0.5 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for all reflections	0.0833
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	0.9881
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179517 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14.	4341467.cif
126683	2014-11-10	cif/ Adding structures of 4341467 via cif-deposit CGI script.	4341467.cif